REMARK 2 REMARK 2 RESOLUTION. 2.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 38.92 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 32498 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.204 REMARK 3 R VALUE (WORKING SET) : 0.202 REMARK 3 FREE R VALUE : 0.244 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 1647 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.40 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.46 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2253 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.00 REMARK 3 BIN R VALUE (WORKING SET) : 0.2610 REMARK 3 BIN FREE R VALUE SET COUNT : 117 REMARK 3 BIN FREE R VALUE : 0.3240 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 5544 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 247 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 35.07 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -2.33000 REMARK 3 B22 (A**2) : 1.26000 REMARK 3 B33 (A**2) : -0.13000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : -1.66000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.428 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.259 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.180 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 14.426 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.939 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.914 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 5690 ; 0.008 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 7764 ; 1.138 ; 1.943 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 722 ; 6.096 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 240 ;36.660 ;25.042 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 860 ;15.265 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 15 ;20.436 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 864 ; 0.073 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 4362 ; 0.003 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 2520 ; 0.181 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 3783 ; 0.302 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 417 ; 0.138 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 45 ; 0.180 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 8 ; 0.186 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 3720 ; 0.315 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 5863 ; 0.570 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 2271 ; 0.896 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1901 ; 1.483 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 5 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 107 A 438 REMARK 3 ORIGIN FOR THE GROUP (A): 12.6917 -31.2701 36.8069 REMARK 3 T TENSOR REMARK 3 T11: -0.1367 T22: -0.2359 REMARK 3 T33: -0.1694 T12: -0.0092 REMARK 3 T13: 0.0231 T23: 0.0048 REMARK 3 L TENSOR REMARK 3 L11: 3.2671 L22: 0.7371 REMARK 3 L33: 1.4282 L12: -0.2443 REMARK 3 L13: 1.2384 L23: -0.1726 REMARK 3 S TENSOR REMARK 3 S11: 0.0884 S12: 0.0133 S13: -0.3231 REMARK 3 S21: -0.0124 S22: 0.0127 S23: 0.0362 REMARK 3 S31: 0.1281 S32: -0.1629 S33: -0.1011 REMARK 3 REMARK 3 TLS GROUP : 2 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : L 1 L 106 REMARK 3 ORIGIN FOR THE GROUP (A): -10.9263 -12.0079 10.5578 REMARK 3 T TENSOR REMARK 3 T11: -0.0895 T22: -0.0588 REMARK 3 T33: -0.1603 T12: 0.0336 REMARK 3 T13: -0.0090 T23: 0.0275 REMARK 3 L TENSOR REMARK 3 L11: 3.9130 L22: 1.2708 REMARK 3 L33: 4.1515 L12: -0.6918 REMARK 3 L13: 1.1441 L23: -0.8462 REMARK 3 S TENSOR REMARK 3 S11: -0.1351 S12: 0.3602 S13: 0.2880 REMARK 3 S21: 0.0436 S22: -0.1109 S23: -0.0414 REMARK 3 S31: -0.3812 S32: -0.1471 S33: 0.2459 REMARK 3 REMARK 3 TLS GROUP : 3 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : L 107 L 214 REMARK 3 ORIGIN FOR THE GROUP (A): -38.1106 -26.0255 -11.0128 REMARK 3 T TENSOR REMARK 3 T11: 0.0625 T22: 0.5262 REMARK 3 T33: 0.1897 T12: 0.1017 REMARK 3 T13: -0.1507 T23: -0.3203 REMARK 3 L TENSOR REMARK 3 L11: 9.9832 L22: 3.6403 REMARK 3 L33: 4.2365 L12: 2.2815 REMARK 3 L13: 2.4852 L23: 0.2391 REMARK 3 S TENSOR REMARK 3 S11: 0.1280 S12: 0.4192 S13: -0.3418 REMARK 3 S21: -0.3761 S22: -0.1140 S23: 0.7576 REMARK 3 S31: 0.0456 S32: -0.6149 S33: -0.0139 REMARK 3 REMARK 3 TLS GROUP : 4 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : H 1 H 110 REMARK 3 ORIGIN FOR THE GROUP (A): -24.0913 -19.5550 26.5903 REMARK 3 T TENSOR REMARK 3 T11: -0.1184 T22: 0.1574 REMARK 3 T33: -0.1735 T12: 0.1169 REMARK 3 T13: 0.0622 T23: -0.0234 REMARK 3 L TENSOR REMARK 3 L11: 4.6282 L22: 1.9472 REMARK 3 L33: 3.3385 L12: 0.2028 REMARK 3 L13: 1.2687 L23: -1.3621 REMARK 3 S TENSOR REMARK 3 S11: 0.0151 S12: -0.3067 S13: -0.0862 REMARK 3 S21: 0.0795 S22: 0.1359 S23: 0.2509 REMARK 3 S31: -0.1896 S32: -0.8578 S33: -0.1510 REMARK 3 REMARK 3 TLS GROUP : 5 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : H 111 H 208 REMARK 3 ORIGIN FOR THE GROUP (A): -36.2377 -36.1302 1.3753 REMARK 3 T TENSOR REMARK 3 T11: 0.2271 T22: 0.4288 REMARK 3 T33: 0.5153 T12: -0.1163 REMARK 3 T13: -0.1734 T23: -0.2289 REMARK 3 L TENSOR REMARK 3 L11: 4.8423 L22: 0.8855 REMARK 3 L33: 10.7058 L12: -0.5440 REMARK 3 L13: -0.9102 L23: 2.6351 REMARK 3 S TENSOR REMARK 3 S11: 0.5400 S12: -0.3063 S13: -1.0172 REMARK 3 S21: -0.0448 S22: -0.0299 S23: 0.2935 REMARK 3 S31: 1.1584 S32: -0.6809 S33: -0.5101 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 2Q8A COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-JUN-07. REMARK 100 THE RCSB ID CODE IS RCSB043274. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU MICROMAX-007 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : OSMIC MULTILAYER MIRRORS REMARK 200 OPTICS : OSMIC MULTILAYER REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV++ REMARK 200 INTENSITY-INTEGRATION SOFTWARE : D*TREK REMARK 200 DATA SCALING SOFTWARE : D*TREK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 30851 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.400 REMARK 200 RESOLUTION RANGE LOW (A) : 40.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 4.000 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.06100 REMARK 200 FOR THE DATA SET : 13.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.49 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.9 REMARK 200 DATA REDUNDANCY IN SHELL : 3.90 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.23000 REMARK 200 FOR SHELL : 4.700 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: 1Z40, 2CGR REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 49.89 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.45 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20 MM MES, 10 MM MNCL2, 6 % PEG 3350, REMARK 280 PH 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 294K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 94.88100 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 25.60150 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 94.88100 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 25.60150 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, L, H REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A 103 REMARK 465 ASN A 104 REMARK 465 TYR A 105 REMARK 465 MET A 106 REMARK 465 LYS A 351 REMARK 465 GLN A 352 REMARK 465 TYR A 353 REMARK 465 SER A 377 REMARK 465 ALA A 378 REMARK 465 PHE A 379 REMARK 465 LEU A 380 REMARK 465 PRO A 381 REMARK 465 THR A 382 REMARK 465 GLY A 383 REMARK 465 ALA A 384 REMARK 465 PHE A 385 REMARK 465 LYS A 386 REMARK 465 ALA A 387 REMARK 465 ASP A 388 REMARK 465 ARG A 389 REMARK 465 GLY H 128 REMARK 465 ASP H 129 REMARK 465 THR H 130 REMARK 465 THR H 131 REMARK 465 SER H 155 REMARK 465 GLY H 156 REMARK 465 SER H 157 REMARK 465 LEU H 158 REMARK 465 SER H 159 REMARK 465 LEU H 209 REMARK 465 GLU H 210 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLU A 112 CG CD OE1 OE2 REMARK 470 LYS A 206 CE NZ REMARK 470 LYS A 243 CE NZ REMARK 470 LYS A 265 CG CD CE NZ REMARK 470 GLU A 267 CG CD OE1 OE2 REMARK 470 LYS A 269 CG CD CE NZ REMARK 470 GLU A 354 CG CD OE1 OE2 REMARK 470 LYS A 370 CG CD CE NZ REMARK 470 ASN A 371 CG OD1 REMARK 470 SER A 373 OG REMARK 470 TYR A 390 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 PHE L 10 CG CD1 CD2 CE1 CE2 CZ REMARK 470 ARG L 18 NE CZ NH1 NH2 REMARK 470 LYS L 24 CD CE NZ REMARK 470 LYS L 45 CD CE NZ REMARK 470 GLU L 123 CG CD OE1 OE2 REMARK 470 ASP L 143 CG OD1 OD2 REMARK 470 LYS L 147 CG CD CE NZ REMARK 470 LYS L 149 CE NZ REMARK 470 GLN L 156 CG CD OE1 NE2 REMARK 470 LYS L 169 CG CD CE NZ REMARK 470 LYS L 183 CG CD CE NZ REMARK 470 ASP L 184 CG OD1 OD2 REMARK 470 GLU L 185 CG CD OE1 OE2 REMARK 470 GLU L 187 CG CD OE1 OE2 REMARK 470 ARG L 188 NE CZ NH1 NH2 REMARK 470 SER L 191 OG REMARK 470 SER L 201 OG REMARK 470 VAL L 206 CG1 CG2 REMARK 470 LYS L 207 CG CD CE NZ REMARK 470 SER L 208 OG REMARK 470 ASN L 210 CG OD1 REMARK 470 ARG L 211 NE CZ NH1 NH2 REMARK 470 GLU L 213 CG CD OE1 OE2 REMARK 470 LYS H 13 CG CD CE NZ REMARK 470 LYS H 19 NZ REMARK 470 GLU H 89 CG CD OE1 OE2 REMARK 470 LYS H 114 CD CE NZ REMARK 470 SER H 133 OG REMARK 470 SER H 134 OG REMARK 470 VAL H 135 CG1 CG2 REMARK 470 LYS H 142 CG CD CE NZ REMARK 470 THR H 152 OG1 CG2 REMARK 470 GLN H 170 CG CD OE1 NE2 REMARK 470 SER H 171 OG REMARK 470 LEU H 173 CG CD1 CD2 REMARK 470 THR H 186 OG1 CG2 REMARK 470 VAL H 192 CG1 CG2 REMARK 470 THR H 204 OG1 CG2 REMARK 470 LYS H 207 CG CD CE NZ REMARK 470 LYS H 208 CD CE NZ REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 NH1 ARG A 304 OE2 GLU A 436 2.06 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 LEU A 131 52.87 -144.74 REMARK 500 PRO A 260 33.81 -67.75 REMARK 500 ARG A 261 -26.86 -168.37 REMARK 500 ARG A 304 -66.46 -134.41 REMARK 500 SER L 30 -121.62 60.04 REMARK 500 ALA L 51 -34.69 66.46 REMARK 500 THR L 126 48.18 -97.37 REMARK 500 SER L 127 -18.03 -140.39 REMARK 500 LYS L 169 -62.75 -91.63 REMARK 500 SER H 99 -117.20 51.23 REMARK 500 SER H 148 79.54 101.83 REMARK 500 SER H 161 32.09 -69.44 REMARK 500 SER H 171 83.62 58.99 REMARK 500 REMARK 500 REMARK: NULL